N-(4-{[1-cyclohexyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[1-cyclohexyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
N-(4-{[1-cyclohexyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 8019-1530 |
| Compound Name: | N-(4-{[1-cyclohexyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide |
| Molecular Weight: | 545.56 |
| Molecular Formula: | C21 H22 F3 N5 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(NC1(C2=C(NC1=O)N(C1CCCCC1)C(NC2=O)=S)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.086 |
| logD: | -1.5082 |
| logSw: | -2.8043 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 117.093 |
| InChI Key: | GGJNAQNINSBIOL-FQEVSTJZSA-N |